CID 65396931

1484705-23-8

Structural Information

Molecular Formula
C11H13ClO4S
SMILES
CC(C)(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO4S/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)17(12,14)15/h4-7H,1-3H3
InChIKey
PKQUQVZTYBVWBB-UHFFFAOYSA-N
Compound name
tert-butyl 3-chlorosulfonylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0223 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02958 160.6
[M+Na]+ 299.01152 171.8
[M+NH4]+ 294.05612 167.3
[M+K]+ 314.98546 165.6
[M-H]- 275.01502 159.9
[M+Na-2H]- 296.99697 165.1
[M]+ 276.02175 162.8
[M]- 276.02285 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.